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Integration with Jax-XC #66

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PabloAMC opened this issue Sep 18, 2023 · 2 comments
Open

Integration with Jax-XC #66

PabloAMC opened this issue Sep 18, 2023 · 2 comments
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enhancement New feature or request
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High priority fea...

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@PabloAMC
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Jax-XC allows to convert LibXC functionals to JAX. It would be cool to allow integration with our library, I think.
@PabloAMC PabloAMC added the enhancement New feature or request label Sep 18, 2023
@jackbaker1001 jackbaker1001 added this to the High priority featutres milestone Dec 7, 2023
@jackbaker1001
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I contacted the developers to see the best way to expose the energy densities. Let's wait and see...

@jackbaker1001 jackbaker1001 mentioned this issue Dec 7, 2023
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@jackbaker1001
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Ok so this should in principle we quite straight-forward. Great find @PabloAMC. I'll make an attempt at this shortly.

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@PabloAMC @jackbaker1001